- InChI
- InChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13?/m1/s1
- InChI Key
- ZHMYLLJMCGLTQY-PZORYLMUSA-N
- Formula
- C15H26O
- SMILES
- C=C1CCC2(CC1)C(C)CCC2C(C)(C)O
- Molecular Weight1
- 222.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 54.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2151.31 | kPa | Joback Calculated Property |
| Inp | [1588.00; 1639.00] |
|
|
| Inp | 1637.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Inp | Outlier 1588.00 | NIST | |
| Inp | 1639.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Inp | 1615.00 | NIST | |
| I | [2149.00; 2212.00] |
|
|
| I | 2149.00 | NIST | |
| I | 2212.00 | NIST | |
| I | 2212.00 | NIST | |
| I | 2149.00 | NIST | |
| Tboil | 656.84 | K | Joback Calculated Property |
| Tc | 868.05 | K | Joback Calculated Property |
| Tfus | 377.19 | K | Joback Calculated Property |
| Vc | 0.747 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.18; 704.15] | J/mol×K | [656.84; 868.05] |
|
| Cp,gas | 597.18 | J/mol×K | 656.84 | Joback Calculated Property |
| Cp,gas | 617.32 | J/mol×K | 692.04 | Joback Calculated Property |
| Cp,gas | 636.34 | J/mol×K | 727.24 | Joback Calculated Property |
| Cp,gas | 654.38 | J/mol×K | 762.45 | Joback Calculated Property |
| Cp,gas | 671.60 | J/mol×K | 797.65 | Joback Calculated Property |
| Cp,gas | 688.14 | J/mol×K | 832.85 | Joback Calculated Property |
| Cp,gas | 704.15 | J/mol×K | 868.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Acorenol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.